(S,S)-(+)-2,5-Bis(methoxymethyl)pyrrolidine
Basic information
- CAS
93621-94-4- Standard SMILES
COC[C@@H]1CC[C@@H](COC)N1- InChIKey
HDXYTIYVVNJFLU-YUMQZZPRSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592879
Names & identifiers
- Preferred name
- (S,S)-(+)-2,5-Bis(methoxymethyl)pyrrolidine
- IUPAC
- (2S,5S)-2,5-bis(methoxymethyl)pyrrolidine
- English name
- (S,S)-(+)-2,5-Bis(methoxymethyl)pyrrolidine
- Molecular formula
- C8H17NO2
- Molecular weight
- 159.23
Names & synonyms
(S,S)-(+)-2,5-Bis(methoxymethyl)pyrrolidineRefChem:408265684-890-193621-94-4(2s,5s)-2,5-bis(methoxymethyl)pyrrolidine(2S,5S)-2,5-bis(methoxymethyl)-2,3,4,5-tetrahydropyrroleMFCD00210016SCHEMBL1876063DTXSID20427093HDXYTIYVVNJFLU-YUMQZZPRSA-N(S,S)-2,5-bis-methoxymethylpyrrolidine(2s,5s)-(-)-2,5-bis(methoxymethyl)pyrrolidine
Show more names
(2S,5S)-(+)-2,5-Bis(methoxymethyl)pyrrolidinePyrrolidine, 2,5-bis(methoxymethyl)-, (2S,5S)-(S,S)-(+)-2,5-Bis(methoxymethyl)pyrrolidine,96%(S,S)-(+)-2,5-Bis(MethoxyMethyl)pyrrolidine, 96% 250MG
(S,S)-(+)-2,5-Bis(methoxymethyl)pyrrolidine, 96%
Database identifiers
- CAS
93621-94-4- PubChem CID
- 7019262
- DTXSID
DTXSID20427093- EC Number
- 684-890-1
- Nikkaji
- J809.982K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 96.3
Physicochemical properties
- Boiling point
- 110 · 110-115 °C(lit.)
- Density
- 0.971 g/mL · 0.971 g/mL at 20 °C(lit.)
- refractive index
- 1.447 · 1.447-1.449
- storage temp.
- Refrigerator (+4°C)
- form
- Liquid
- pka
- 9.52 · 9.52±0.10(Predicted)
- color
- Clear light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25-36-26
- HS Code
- 29339980 · 29339980
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29339980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
2 records
Compound notes
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